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Home > Indoles and Oxindole > 785815-31-8
785815-31-8 | 1H-Indole, 3-butyl-2-(phenylmethyl)-
CAS No: 785815-31-8 Catalog No: AG005285 MDL No:
Product Description
Catalog Number:
AG005285
Chemical Name:
1H-Indole, 3-butyl-2-(phenylmethyl)-
CAS Number:
785815-31-8
Molecular Formula:
C19H21N
Molecular Weight:
263.3767
IUPAC Name:
2-benzyl-3-butyl-1H-indole
InChI:
InChI=1S/C19H21N/c1-2-3-11-17-16-12-7-8-13-18(16)20-19(17)14-15-9-5-4-6-10-15/h4-10,12-13,20H,2-3,11,14H2,1H3
InChI Key:
MTONLCVDIGFMDW-UHFFFAOYSA-N
SMILES:
CCCCc1c(Cc2ccccc2)[nH]c2c1cccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.167g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.384g/mol
Monoisotopic Mass:
263.167g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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